0 mol 4 unq 0 iso 0 dist 8.15534 12.7614 8.67981 5.12159 6.12485 11.5212 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 8.15534 12.7614 8.67981 10.7952 9.04027 3.6405 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 9.24292 11.4707 9.1125 7.2786 8.03458 4.55975 numMergedOcc 0
3 mol 10 unq 1 iso 0 dist 9.24292 11.4707 9.1125 8.58855 8.2106 11.8229 numMergedOcc 0
4 mol 12 unq 0 iso 0 dist 7.68446 13.0936 7.44542 13.7296 8.15864 4.60834 numMergedOcc 0
5 mol 29 unq 0 iso 0 dist 9.27422 8.33913 6.73481 8.44709 7.50258 9.50033 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 8.11297 4.20721 7.5203 10.0366 8.68012 6.20447 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 6.09042 8.33049 9.65672 11.2147 9.11512 14.3275 numMergedOcc 0
8 mol 87 unq 0 iso 0 dist 8.21588 6.02518 6.97882 5.34066 5.62336 6.27329 numMergedOcc 0
9 mol 87 unq 1 iso 0 dist 8.21588 13.04 7.7858 5.34066 5.62336 7.88443 numMergedOcc 0
10 mol 87 unq 2 iso 0 dist 6.62798 6.02518 9.4868 10.7803 9.90256 15.7737 numMergedOcc 0
11 mol 87 unq 3 iso 0 dist 6.62798 6.02518 9.4868 5.34066 5.63748 6.27329 numMergedOcc 0
12 mol 87 unq 4 iso 0 dist 8.15104 8.93266 6.97882 5.22028 5.62336 6.27329 numMergedOcc 0
13 mol 87 unq 5 iso 0 dist 8.15104 4.33498 7.7858 5.22028 5.62336 7.88443 numMergedOcc 0
14 mol 87 unq 6 iso 0 dist 9.94718 8.93266 9.4868 13.2349 9.90256 15.7737 numMergedOcc 0
15 mol 87 unq 7 iso 0 dist 9.94718 8.93266 9.4868 5.22028 5.63748 6.27329 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 7.40582 3.97579 5.37819 15.2733 8.15664 12.1737 numMergedOcc 0
17 mol 102 unq 0 iso 0 dist 7.90927 5.57291 9.22651 11.8843 8.03869 12.1115 numMergedOcc 0
18 mol 102 unq 1 iso 0 dist 7.90927 6.91222 5.32892 11.8843 8.03869 7.26176 numMergedOcc 0
19 mol 103 unq 0 iso 0 dist 5.8915 5.18043 7.52954 5.29804 8.078 6.38538 numMergedOcc 0
20 mol 103 unq 1 iso 0 dist 5.8915 5.18043 7.52954 8.4824 6.56481 6.78021 numMergedOcc 0
21 mol 124 unq 0 iso 0 dist 8.55572 4.91808 9.7589 5.69896 7.18976 7.73112 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 7.47105 7.0088 7.17051 11.193 9.2759 5.9683 numMergedOcc 0
23 mol 139 unq 0 iso 0 dist 7.83417 4.71927 5.77343 7.11333 8.78382 4.19005 numMergedOcc 0
24 mol 165 unq 0 iso 0 dist 7.22838 9.87383 9.8446 5.97663 6.85551 4.08841 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.35708 10.7753 5.31333 12.3139 9.2254 4.43567 numMergedOcc 0
26 mol 187 unq 0 iso 0 dist 9.55621 10.2744 5.82577 9.61673 5.58167 10.7172 numMergedOcc 0
27 mol 187 unq 1 iso 0 dist 9.55621 10.2744 5.82577 12.9459 8.0501 4.75665 numMergedOcc 0
28 mol 188 unq 0 iso 0 dist 6.07498 6.34135 8.94864 6.28041 8.1907 9.77899 numMergedOcc 0
29 mol 192 unq 0 iso 0 dist 8.82945 15.0721 8.86627 7.41218 7.36571 8.61606 numMergedOcc 0
30 mol 192 unq 1 iso 0 dist 8.82945 15.0721 8.86627 16.7139 9.80122 4.25327 numMergedOcc 0
31 mol 192 unq 2 iso 0 dist 8.82945 15.0721 8.86627 14.6803 9.17137 4.97164 numMergedOcc 0
32 mol 192 unq 3 iso 0 dist 8.82945 12.6382 9.10569 7.41218 7.36571 5.41356 numMergedOcc 0
33 mol 192 unq 4 iso 0 dist 8.82945 12.6382 9.10569 16.7139 9.80122 8.1874 numMergedOcc 0
34 mol 192 unq 5 iso 0 dist 8.82945 12.6382 9.10569 14.6803 9.17137 4.87986 numMergedOcc 0
35 mol 204 unq 0 iso 0 dist 6.58174 10.0944 8.40718 10.9794 6.20044 12.4189 numMergedOcc 0
36 mol 204 unq 1 iso 0 dist 6.58174 10.0944 8.40718 9.00243 8.41232 12.8445 numMergedOcc 0
37 mol 205 unq 0 iso 0 dist 9.54443 8.10536 7.55333 12.5471 5.86839 6.67537 numMergedOcc 0
38 mol 225 unq 0 iso 0 dist 8.33143 10.8895 7.47852 8.88571 7.65121 5.9027 numMergedOcc 0
39 mol 225 unq 1 iso 0 dist 8.33143 11.8099 6.22332 8.88571 7.65121 4.95393 numMergedOcc 0
40 mol 226 unq 0 iso 0 dist 8.64849 8.63134 9.5942 9.4366 8.52996 4.31761 numMergedOcc 0
41 mol 226 unq 1 iso 0 dist 6.3687 11.0907 7.54614 4.52889 8.74399 12.983 numMergedOcc 0
42 mol 236 unq 0 iso 0 dist 5.46484 5.05085 5.6568 5.81446 7.74348 4.24722 numMergedOcc 0
43 mol 236 unq 1 iso 0 dist 8.80671 10.8749 5.6568 14.8289 7.74348 4.24722 numMergedOcc 0
44 mol 266 unq 0 iso 0 dist 9.46926 5.43882 9.33791 4.95934 8.8646 8.55958 numMergedOcc 0
45 mol 271 unq 0 iso 0 dist 7.34621 4.7953 7.29764 7.6271 9.00071 4.80845 numMergedOcc 0
46 mol 273 unq 0 iso 0 dist 7.29081 15.0113 9.80002 12.2394 5.78262 5.87385 numMergedOcc 0
47 mol 273 unq 1 iso 0 dist 7.29081 15.0113 9.80002 7.5139 7.6489 10.5975 numMergedOcc 0
48 mol 273 unq 2 iso 0 dist 7.29081 13.9951 6.73794 12.2394 5.78262 3.92089 numMergedOcc 0
49 mol 273 unq 3 iso 0 dist 7.29081 13.9951 6.73794 7.5139 7.6489 12.0094 numMergedOcc 0
50 mol 285 unq 0 iso 0 dist 4.49395 9.78456 5.76796 9.47966 7.872 11.2606 numMergedOcc 0
51 mol 285 unq 1 iso 0 dist 4.49395 9.78456 5.76796 6.49869 6.32984 8.7778 numMergedOcc 0
52 mol 287 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.51191 6.45597 6.53276 numMergedOcc 0
53 mol 288 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.51191 6.45597 6.53276 numMergedOcc 0
54 mol 289 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.51191 6.45597 6.53276 numMergedOcc 0
